1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone

C15H16FNO — CID 19833131

IUPAC1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
SMILESCC(=O)N1CCCC2=C1CCc1cc(F)ccc12
InChIInChI=1S/C15H16FNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWRYRIYWIAQCBFM-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.13
Rot. Bonds

About 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone

1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone (PubChem CID 19833131) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
PubChem CID19833131
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
SMILESCC(=O)N1CCCC2=C1CCc1cc(F)ccc12
InChIInChI=1S/C15H16FNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3
InChIKeyWRYRIYWIAQCBFM-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(8-bromo-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone
CID 22165481
1-(6-fluoro-1-methyl-3,4-dihydronaphthalen-2-yl)pyrrolidine
CID 57200436
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)propanoic acid
CID 116531411
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
2-(7-fluoro-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)acetic acid
CID 115041933
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(3-fluorophenyl)oxamide
CID 7586378
1-(7-fluoro-6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 132513887
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
N-cyclopentyl-6-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747475

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The IUPAC name of 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone (CID 19833131) is 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone.
What is the SMILES notation for 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The canonical SMILES for 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone is CC(=O)N1CCCC2=C1CCc1cc(F)ccc12.
What is the InChIKey of 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
The InChIKey is WRYRIYWIAQCBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-10(18)17-8-2-3-14-13-6-5-12(16)9-11(13)4-7-15(14)17/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone?
1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone has a molecular weight of 245.30 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2,3,5,6-tetrahydro-1H-benzo[f]quinolin-4-yl)ethanone is sourced from PubChem (CID 19833131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).